5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine

C10H10FIN4O — CID 106962819

IUPAC5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(Nc2ccc(F)cc2I)o1
InChIInChI=1S/C10H10FIN4O/c11-6-1-2-8(7(12)5-6)14-10-16-15-9(17-10)3-4-13/h1-2,5H,3-4,13H2,(H,14,16)
InChIKeyICZCXYOORGOPPU-UHFFFAOYSA-N
MW348.12 g/mol
LogP2.06
Rot. Bonds4

About 5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106962819) has the molecular formula C10H10FIN4O and a molecular weight of 348.12 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106962819
Molecular FormulaC10H10FIN4O
Molecular Weight348.12 g/mol
Exact Mass347.99
IUPAC Name5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(Nc2ccc(F)cc2I)o1
InChIInChI=1S/C10H10FIN4O/c11-6-1-2-8(7(12)5-6)14-10-16-15-9(17-10)3-4-13/h1-2,5H,3-4,13H2,(H,14,16)
InChIKeyICZCXYOORGOPPU-UHFFFAOYSA-N
XLogP2.06
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 106962829
N-(4-fluoro-2-iodophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106962825
5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106969727
5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967359
5-(2-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966390
5-(chloromethyl)-N-(4-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106956485
5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 106959118
3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 113325343
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
CID 152736255
5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966399
N-(2-bromo-5-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 107632717
N-(5-bromo-2-fluorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956705

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine (CID 106962819) is 5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine is NCCc1nnc(Nc2ccc(F)cc2I)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ICZCXYOORGOPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FIN4O/c11-6-1-2-8(7(12)5-6)14-10-16-15-9(17-10)3-4-13/h1-2,5H,3-4,13H2,(H,14,16).
What are the key properties of 5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 348.12 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).